APMonitor

Thermo objects

Thermo objects access data from the underlying thermodynamic database. There are many compounds accessible in the database. To reduce the size of the APMonitor executable, only some of the more common compounds are currently incorporated. Additional compounds can be easily added but require a rebuild of the executable.

Temperature Independent Property Data

Temperature independent property data do not vary with temperature. They are defined as constants for each of the species declared in the Compounds ... End Compounds section of the model. If the Compounds ... End Compounds section is missing, all available compounds are included in the model.

(:table border=1 width=100%:) (:cellnr:) thermo_mw (:cell:) Molecular Weight (:cell:) kg/kmol (:cellnr:) thermo_tc (:cell:) Critical Temperature (:cell:) K (:cellnr:) thermo_pc (:cell:) Critical Pressure (:cell:) Pa (:cellnr:) thermo_vc (:cell:) Critical Volume (:cell:) m^3/kmol (:cellnr:) thermo_ccf (:cell:) Crit Compress Factor (:cell:) unitless (:cellnr:) thermo_mp (:cell:) Melting Point (:cell:) K (:cellnr:) thermo_tpt (:cell:) Triple Pt Temperature (:cell:) K (:cellnr:) thermo_tpp (:cell:) Triple Pt Pressure (:cell:) Pa (:cellnr:) thermo_nbp (:cell:) Normal Boiling Point (:cell:) K (:cellnr:) thermo_lmv (:cell:) Liq Molar Volume (:cell:) m^3/kmol (:cellnr:) thermo_ighf (:cell:) IG Heat of Formation (:cell:) J/kmol (:cellnr:) thermo_iggf (:cell:) IG Gibbs of Formation (:cell:) J/kmol (:cellnr:) thermo_igae (:cell:) IG Absolute Entropy (:cell:) J/kmol*K (:cellnr:) thermo_shf (:cell:) Std Heat of Formation (:cell:) J/kmol (:cellnr:) thermo_sgf (:cell:) Std Gibbs of Formation (:cell:) J/kmol (:cellnr:) thermo_sae (:cell:) Std Absolute Entropy (:cell:) J/kmol*K (:cellnr:) thermo_hfmp (:cell:) Heat Fusion at Melt Pt (:cell:) J/kmol (:cellnr:) thermo_snhc (:cell:) Std Net Heat of Comb (:cell:) J/kmol (:cellnr:) thermo_af (:cell:) Acentric Factor (:cell:) unitless (:cellnr:) thermo_rg (:cell:) Radius of Gyration (:cell:) m (:cellnr:) thermo_sp (:cell:) Solubility Parameter (:cell:) (J/m^3)^0.5 (:cellnr:) thermo_dm (:cell:) Dipole Moment (:cell:) c*m (:cellnr:) thermo_r (:cell:) van der Waals Volume (:cell:) m^3/kmol (:cellnr:) thermo_q (:cell:) van der Waals Area (:cell:) m^2 (:cellnr:) thermo_ri (:cell:) Refractive Index (:cell:) unitless (:cellnr:) thermo_fp (:cell:) Flash Point (:cell:) K (:cellnr:) thermo_lfl (:cell:) Lower Flammability Limit (:cell:) K (:cellnr:) thermo_ufl (:cell:) Upper Flammability Limit (:cell:) K (:cellnr:) thermo_lflt (:cell:) Lower Flamm Limit Temp (:cell:) K (:cellnr:) thermo_uflt (:cell:) Upper Flamm Limit Temp (:cell:) K (:cellnr:) thermo_ait (:cell:) Auto Ignition Temp (:cell:) K (:tableend:)

Temperature Dependent Property Data

The temperature dependent thermo objects produce values based on a specified temperature. When a temperature dependent property object is declared, a new temperature variable will be created. This variable can be adjusted or linked to an existing temperature of interest.

(:table border=1 width=100%:) (:cellnr:) thermo_sd (:cell:) Solid Density (:cell:) kmol/m^3 (:cellnr:) thermo_ld (:cell:) Liquid Density (:cell:) kmol/m^3 (:cellnr:) thermo_svp (:cell:) Solid Vapor Pressure (:cell:) Pa (:cellnr:) thermo_lvp (:cell:) Liquid Vapor Pressure (:cell:) Pa (:cellnr:) thermo_hvap (:cell:) Heat of Vaporization (:cell:) J/kmol (:cellnr:) thermo_scp (:cell:) Solid Heat Capacity (:cell:) J/kmol*K (:cellnr:) thermo_lcp (:cell:) Liquid Heat Capacity (:cell:) J/kmol*K (:cellnr:) thermo_igcp (:cell:) Ideal Gas Heat Capacity (:cell:) J/kmol*K (:cellnr:) thermo_svc (:cell:) Second Virial Coefficient (:cell:) m^3/kmol (:cellnr:) thermo_lv (:cell:) Liquid Viscosity (:cell:) Pa*s (:cellnr:) thermo_vv (:cell:) Vapor Viscosity (:cell:) Pa*s (:cellnr:) thermo_sk (:cell:) Solid Thermal Conductivity (:cell:) W/m*K (:cellnr:) thermo_lk (:cell:) Liq Thermal Conductivity (:cell:) W/m*K (:cellnr:) thermo_vk (:cell:) Vap Thermal Conductivity (:cell:) W/m*K (:cellnr:) thermo_st (:cell:) Surface Tension (:cell:) N/m (:cellnr:) thermo_sh (:cell:) Solid Enthalpy (:cell:) J/kmol (:cellnr:) thermo_lh (:cell:) Liq Enthalpy (:cell:) J/kmol (:cellnr:) thermo_vh (:cell:) Vap Enthalpy (:cell:) J/kmol (:tableend:)

(:table border=1 width=100% align=left bgcolor=#EEEEEE cellspacing=0:)

Example

Example script that demonstrates simple queries (access.m) Δ Thermo function call (thermo.m) Δ

Retrieve properties via a web query

The following MATLAB script demonstrates the ability to query the APMonitor Thermodynamic Properties via a web query. The script thermo.m provides the function call and access.m is the example script that accesses and displays results.

(:table border=1 width=50% align=left bgcolor=#EEEEEE cellspacing=0:) (:cellnr:) Example script that demonstrates simple queries (access.m) Δ Thermo function call (thermo.m) Δ (:tableend:)

The chemical compounds used in the flowsheet are defined in the Compounds ... End Compounds section. There are more than 1700 compounds available in the thermodynamic database. If the chemical compound is not available, a text file named compounds.txt is generated when the problem solution is attempted. There are commonly used compounds that are available by default in the trial version of the software.

Thermodynamic Properties Available in APMonitor

 Common Name: hydrogen sulfide
 IUPAC Name : hydrogen sulfide
 CAS Number : 7783-06-4
 Formula    : H2S

When only one compound is selected, the modeling system automatically creates a duplicate compound of the same type. This is used to simplify the management of modeling equations that are valid for 2 or greater number of compounds.

(:cellnr:)

 Chemical compounds in trial software

Example

Chemical compounds in trial software

 ! Example compounds section
 Model heat_exchanger
   Compounds
     water
     air
   End Compounds

   Objects
     exchanger As Vessel
   End Objects
 End Model

(:tableend:)

• Chemical compounds in the trial version of the software.

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Chemical Compounds

The chemical compounds used in the flowsheet are defined in the Compounds ... End Compounds section. There are more than 1700 compounds available in the thermodynamic database. If the chemical compound is not available, a text file named compounds.txt is generated when the problem solution is attempted. There are 71 commonly used compounds that are available by default in the trial version of the software.

Compounds in the Object Library

The object library consists of chemical processing equipment such as feed streams, reactors, pumps, mixers, flash columns, vessels, and distillation stages. The compounds section is used to define the number, type, and order of chemical species in a stream or vessel.

(:table border=1 width=50% align=left bgcolor=#EEEEEE cellspacing=0:) (:cellnr:)

 Chemical compounds in the trial version of the software.

(:cellnr:)

 Any of the following compounds can be referenced by common
   or IUPAC name, CAS number, or chemical formula

 Care should be taken when accessing a compound by formula
   because formula names are not unique and the first
   available match will be selected.

 Common Name: methane
 IUPAC Name : methane
 CAS Number : 74-82-8
 Formula    : CH4

 Common Name: ethane
 IUPAC Name : ethane
 CAS Number : 74-84-0
 Formula    : C2H6

 Common Name: propane
 IUPAC Name : propane
 CAS Number : 74-98-6
 Formula    : C3H8

 Common Name: isobutane
 IUPAC Name : isobutane
 CAS Number : 75-28-5
 Formula    : C4H10

 Common Name: n-butane
 IUPAC Name : butane
 CAS Number : 106-97-8
 Formula    : C4H10

 Common Name: n-pentane
 IUPAC Name : pentane
 CAS Number : 109-66-0
 Formula    : C5H12

 Common Name: isopentane
 IUPAC Name : isopentane
 CAS Number : 78-78-4
 Formula    : C5H12

 Common Name: neopentane
 IUPAC Name : neopentane
 CAS Number : 463-82-1
 Formula    : C5H12

 Common Name: n-hexane
 IUPAC Name : hexane
 CAS Number : 110-54-3
 Formula    : C6H14

 Common Name: n-heptane
 IUPAC Name : heptane
 CAS Number : 142-82-5
 Formula    : C7H16

 Common Name: n-octane
 IUPAC Name : octane
 CAS Number : 111-65-9
 Formula    : C8H18

 Common Name: n-nonane
 IUPAC Name : nonane
 CAS Number : 111-84-2
 Formula    : C9H20

 Common Name: squalane
 IUPAC Name : 2,6,10,15,19,23-hexamethyltetracosane
 CAS Number : 111-01-3
 Formula    : C30H62

 Common Name: n-decane
 IUPAC Name : decane
 CAS Number : 124-18-5
 Formula    : C10H22

 Common Name: n-undecane
 IUPAC Name : undecane
 CAS Number : 1120-21-4
 Formula    : C11H24

 Common Name: n-dodecane
 IUPAC Name : dodecane
 CAS Number : 112-40-3
 Formula    : C12H26

 Common Name: n-tridecane
 IUPAC Name : tridecane
 CAS Number : 629-50-5
 Formula    : C13H28

 Common Name: n-tetradecane
 IUPAC Name : tetradecane
 CAS Number : 629-59-4
 Formula    : C14H30

 Common Name: n-pentadecane
 IUPAC Name : pentadecane
 CAS Number : 629-62-9
 Formula    : C15H32

 Common Name: n-hexadecane
 IUPAC Name : hexadecane
 CAS Number : 544-76-3
 Formula    : C16H34

 Common Name: n-heptadecane
 IUPAC Name : heptadecane
 CAS Number : 629-78-7
 Formula    : C17H36

 Common Name: n-octadecane
 IUPAC Name : octadecane
 CAS Number : 593-45-3
 Formula    : C18H38

 Common Name: n-nonadecane
 IUPAC Name : nonadecane
 CAS Number : 629-92-5
 Formula    : C19H40

 Common Name: n-eicosane
 IUPAC Name : eicosane
 CAS Number : 112-95-8
 Formula    : C20H42

 Common Name: cyclopropane
 IUPAC Name : cyclopropane
 CAS Number : 75-19-4
 Formula    : C3H6

 Common Name: cyclobutane
 IUPAC Name : cyclobutane
 CAS Number : 287-23-0
 Formula    : C4H8

 Common Name: cyclopentane
 IUPAC Name : cyclopentane
 CAS Number : 287-92-3
 Formula    : C5H10

 Common Name: cyclohexane
 IUPAC Name : cyclohexane
 CAS Number : 110-82-7
 Formula    : C6H12

 Common Name: cycloheptane
 IUPAC Name : cycloheptane
 CAS Number : 291-64-5
 Formula    : C7H14

 Common Name: cyclooctane
 IUPAC Name : cyclooctane
 CAS Number : 292-64-8
 Formula    : C8H16

 Common Name: ethylene
 IUPAC Name : ethylene
 CAS Number : 74-85-1
 Formula    : C2H4

 Common Name: propylene
 IUPAC Name : propylene
 CAS Number : 115-07-1
 Formula    : C3H6

 Common Name: 1-butene
 IUPAC Name : 1-butene
 CAS Number : 106-98-9
 Formula    : C4H8

 Common Name: isobutene
 IUPAC Name : isobutene
 CAS Number : 115-11-7
 Formula    : C4H8

 Common Name: 1-pentene
 IUPAC Name : 1-pentene
 CAS Number : 109-67-1
 Formula    : C5H10

 Common Name: 1-hexene
 IUPAC Name : 1-hexene
 CAS Number : 592-41-6
 Formula    : C6H12

 Common Name: 1-heptene
 IUPAC Name : 1-heptene
 CAS Number : 592-76-7
 Formula    : C7H14

 Common Name: 1-octene
 IUPAC Name : 1-octene
 CAS Number : 111-66-0
 Formula    : C8H16

 Common Name: 1-nonene
 IUPAC Name : 1-nonene
 CAS Number : 124-11-8
 Formula    : C9H18

 Common Name: 1-decene
 IUPAC Name : 1-decene
 CAS Number : 872-05-9
 Formula    : C10H20

 Common Name: 1-undecene
 IUPAC Name : 1-undecene
 CAS Number : 821-95-4
 Formula    : C11H22

 Common Name: 1-dodecene
 IUPAC Name : 1-dodecene
 CAS Number : 112-41-4
 Formula    : C12H24

 Common Name: 1-tridecene
 IUPAC Name : 1-tridecene
 CAS Number : 2437-56-1
 Formula    : C13H26

 Common Name: 1-tetradecene
 IUPAC Name : 1-tetradecene
 CAS Number : 1120-36-1
 Formula    : C14H28

 Common Name: 1-pentadecene
 IUPAC Name : 1-pentadecene
 CAS Number : 13360-61-7
 Formula    : C15H30

 Common Name: 1-hexadecene
 IUPAC Name : 1-hexadecene
 CAS Number : 629-73-2
 Formula    : C16H32

 Common Name: 1-octadecene
 IUPAC Name : 1-octadecene
 CAS Number : 112-88-9
 Formula    : C18H36

 Common Name: cyclopentene
 IUPAC Name : cyclopentene
 CAS Number : 142-29-0
 Formula    : C5H8

 Common Name: cyclohexene
 IUPAC Name : cyclohexene
 CAS Number : 110-83-8
 Formula    : C6H10

 Common Name: isoprene
 IUPAC Name : isoprene
 CAS Number : 78-79-5
 Formula    : C5H8

 Common Name: benzene
 IUPAC Name : benzene
 CAS Number : 71-43-2
 Formula    : C6H6

 Common Name: toluene
 IUPAC Name : toluene
 CAS Number : 108-88-3
 Formula    : C7H8

 Common Name: ethylbenzene
 IUPAC Name : ethylbenzene
 CAS Number : 100-41-4
 Formula    : C8H10

 Common Name: o-xylene
 IUPAC Name : 1,2-dimethylbenzene
 CAS Number : 95-47-6
 Formula    : C8H10

 Common Name: m-xylene
 IUPAC Name : 1,3-dimethylbenzene
 CAS Number : 108-38-3
 Formula    : C8H10

 Common Name: p-xylene
 IUPAC Name : 1,4-dimethylbenzene
 CAS Number : 106-42-3
 Formula    : C8H10

 Common Name: styrene
 IUPAC Name : phenylethene
 CAS Number : 100-42-5
 Formula    : C8H8

 Common Name: oxygen
 IUPAC Name : oxygen
 CAS Number : 7782-44-7
 Formula    : O2

 Common Name: hydrogen
 IUPAC Name : hydrogen
 CAS Number : 1333-74-0
 Formula    : H2

 Common Name: nitrogen
 IUPAC Name : nitrogen
 CAS Number : 7727-37-9
 Formula    : N2

 Common Name: carbon monoxide
 IUPAC Name : carbon monoxide
 CAS Number : 630-08-0
 Formula    : CO

 Common Name: carbon dioxide
 IUPAC Name : carbon dioxide
 CAS Number : 124-38-9
 Formula    : CO2

 Common Name: air
 IUPAC Name : air
 CAS Number : 132259-10-0
 Formula    : MIXTURE

 Common Name: acetone
 IUPAC Name : acetone
 CAS Number : 67-64-1
 Formula    : C3H6O

 Common Name: methanol
 IUPAC Name : methanol
 CAS Number : 67-56-1
 Formula    : CH4O

 Common Name: ethanol
 IUPAC Name : ethanol
 CAS Number : 64-17-5
 Formula    : C2H6O

 Common Name: vinyl acetate
 IUPAC Name : vinyl acetate
 CAS Number : 108-05-4
 Formula    : C4H6O2

 Common Name: ammonia
 IUPAC Name : ammonia
 CAS Number : 7664-41-7
 Formula    : H3N

 Common Name: sodium hydroxide
 IUPAC Name : sodium hydroxide
 CAS Number : 1310-73-2
 Formula    : HNaO

 Common Name: water
 IUPAC Name : water
 CAS Number : 7732-18-5
 Formula    : H2O

(:tableend:)